Benzene and substituted derivatives
Filtered Search Results
Methyl 5-Hydroxyanthranilate 98.0+%, TCI America™
CAS: 1882-72-0 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD05863263 InChI Key: DWBKSTKVIIRFHL-UHFFFAOYSA-N Synonym: 5-Hydroxyanthranilic Acid Methyl Ester, Methyl 2-Amino-5-hydroxybenzoate, 2-Amino-5-hydroxybenzoic Acid Methyl Ester PubChem CID: 819940 IUPAC Name: methyl 2-amino-5-hydroxybenzoate SMILES: COC(=O)C1=C(N)C=CC(O)=C1
| PubChem CID | 819940 |
|---|---|
| CAS | 1882-72-0 |
| Molecular Weight (g/mol) | 167.16 |
| MDL Number | MFCD05863263 |
| SMILES | COC(=O)C1=C(N)C=CC(O)=C1 |
| Synonym | 5-Hydroxyanthranilic Acid Methyl Ester, Methyl 2-Amino-5-hydroxybenzoate, 2-Amino-5-hydroxybenzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-amino-5-hydroxybenzoate |
| InChI Key | DWBKSTKVIIRFHL-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
3-Cyanobenzyl Chloride 98.0+%, TCI America™
CAS: 64407-07-4 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD02684191 InChI Key: WRXVOTDGLNPNND-UHFFFAOYSA-N Synonym: 3-(Chloromethyl)benzonitrile, alpha-Chloro-m-tolunitrile PubChem CID: 522126 IUPAC Name: 3-(chloromethyl)benzonitrile SMILES: C1=CC(=CC(=C1)CCl)C#N
| PubChem CID | 522126 |
|---|---|
| CAS | 64407-07-4 |
| Molecular Weight (g/mol) | 151.593 |
| MDL Number | MFCD02684191 |
| SMILES | C1=CC(=CC(=C1)CCl)C#N |
| Synonym | 3-(Chloromethyl)benzonitrile, alpha-Chloro-m-tolunitrile |
| IUPAC Name | 3-(chloromethyl)benzonitrile |
| InChI Key | WRXVOTDGLNPNND-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClN |
2-Isonitrosopropiophenone 98.0+%, TCI America™
CAS: 119-51-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00002115 InChI Key: YPINLRNGSGGJJT-JXMROGBWSA-N Synonym: 1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone PubChem CID: 9566063 IUPAC Name: (2E)-2-(N-hydroxyimino)-1-phenylpropan-1-one SMILES: C\C(=N/O)C(=O)C1=CC=CC=C1
| PubChem CID | 9566063 |
|---|---|
| CAS | 119-51-7 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00002115 |
| SMILES | C\C(=N/O)C(=O)C1=CC=CC=C1 |
| Synonym | 1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone |
| IUPAC Name | (2E)-2-(N-hydroxyimino)-1-phenylpropan-1-one |
| InChI Key | YPINLRNGSGGJJT-JXMROGBWSA-N |
| Molecular Formula | C9H9NO2 |
4-Methoxy-2-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 33844-21-2 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD04972109 InChI Key: DVZBWONCSHFMMM-UHFFFAOYSA-N Synonym: 2-Nitro-p-anisic Acid PubChem CID: 288657 SMILES: COC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 288657 |
|---|---|
| CAS | 33844-21-2 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD04972109 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 2-Nitro-p-anisic Acid |
| InChI Key | DVZBWONCSHFMMM-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
1-Bromo-4-nitrobenzene 99.0+%, TCI America™
CAS: 586-78-7 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.01 MDL Number: MFCD00007280 InChI Key: ZDFBKZUDCQQKAC-UHFFFAOYSA-N Synonym: 4-bromonitrobenzene,4-nitrobromobenzene,p-bromonitrobenzene,benzene, 1-bromo-4-nitro,p-nitrobromobenzene,4-nitrophenyl bromide,4-bromo-1-nitrobenzene,p-nitrophenyl bromide,1-bromo-4-nitro-benzene,ccris 3115 PubChem CID: 11466 IUPAC Name: 1-bromo-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(Br)C=C1
| PubChem CID | 11466 |
|---|---|
| CAS | 586-78-7 |
| Molecular Weight (g/mol) | 202.01 |
| MDL Number | MFCD00007280 |
| SMILES | [O-][N+](=O)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromonitrobenzene,4-nitrobromobenzene,p-bromonitrobenzene,benzene, 1-bromo-4-nitro,p-nitrobromobenzene,4-nitrophenyl bromide,4-bromo-1-nitrobenzene,p-nitrophenyl bromide,1-bromo-4-nitro-benzene,ccris 3115 |
| IUPAC Name | 1-bromo-4-nitrobenzene |
| InChI Key | ZDFBKZUDCQQKAC-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO2 |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide 98.0+%, TCI America™
CAS: 138500-85-3 Molecular Formula: C13H18BBrO2 Molecular Weight (g/mol): 297.00 MDL Number: MFCD02179493 InChI Key: CBUOGMOTDGNEAW-UHFFFAOYSA-N Synonym: 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl benzeneboronic acid pinacol ester,4-bromomethylphenylboronic acid pinacol ester,4-bromomethylphenylboronic acid, pinacol ester,4-bromomethyl phenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl,2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaboronate,4-bromomethyl benzeneboronicacidpinacolester,4-bromomethyl benzeneboronic acid, pinacol ester PubChem CID: 3734506 IUPAC Name: 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CBr)C=C1
| PubChem CID | 3734506 |
|---|---|
| CAS | 138500-85-3 |
| Molecular Weight (g/mol) | 297.00 |
| MDL Number | MFCD02179493 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(CBr)C=C1 |
| Synonym | 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl benzeneboronic acid pinacol ester,4-bromomethylphenylboronic acid pinacol ester,4-bromomethylphenylboronic acid, pinacol ester,4-bromomethyl phenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl,2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaboronate,4-bromomethyl benzeneboronicacidpinacolester,4-bromomethyl benzeneboronic acid, pinacol ester |
| IUPAC Name | 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | CBUOGMOTDGNEAW-UHFFFAOYSA-N |
| Molecular Formula | C13H18BBrO2 |
3,4-Diethoxybenzoic Acid 98.0+%, TCI America™
CAS: 5409-31-4 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00002504 InChI Key: VVKCVAPLTRZJHH-UHFFFAOYSA-N Synonym: benzoic acid, 3,4-diethoxy,benzoicacid34diethoxy,3,4-diethoxy-benzoic acid,acmc-1apyn,ksc271i5p,3,4-bis ethyloxy benzoic acid,3,4-diethoxybenzoic acid PubChem CID: 79417 IUPAC Name: 3,4-diethoxybenzoic acid SMILES: CCOC1=C(C=C(C=C1)C(=O)O)OCC
| PubChem CID | 79417 |
|---|---|
| CAS | 5409-31-4 |
| Molecular Weight (g/mol) | 210.229 |
| MDL Number | MFCD00002504 |
| SMILES | CCOC1=C(C=C(C=C1)C(=O)O)OCC |
| Synonym | benzoic acid, 3,4-diethoxy,benzoicacid34diethoxy,3,4-diethoxy-benzoic acid,acmc-1apyn,ksc271i5p,3,4-bis ethyloxy benzoic acid,3,4-diethoxybenzoic acid |
| IUPAC Name | 3,4-diethoxybenzoic acid |
| InChI Key | VVKCVAPLTRZJHH-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |
m-Toluidine 98.0+%, TCI America™
CAS: 108-44-1 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00007808 InChI Key: JJYPMNFTHPTTDI-UHFFFAOYSA-N Synonym: m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine PubChem CID: 7934 IUPAC Name: 3-methylaniline SMILES: CC1=CC=CC(N)=C1
| PubChem CID | 7934 |
|---|---|
| CAS | 108-44-1 |
| Molecular Weight (g/mol) | 107.16 |
| MDL Number | MFCD00007808 |
| SMILES | CC1=CC=CC(N)=C1 |
| Synonym | m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine |
| IUPAC Name | 3-methylaniline |
| InChI Key | JJYPMNFTHPTTDI-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
Dicyclohexyl Phthalate 99.0+%, TCI America™
CAS: 84-61-7 Molecular Formula: C20H26O4 Molecular Weight (g/mol): 330.424 MDL Number: MFCD00003849 InChI Key: VOWAEIGWURALJQ-UHFFFAOYSA-N Synonym: dicyclohexyl phthalate,ergoplast fdc,unimoll 66,ergoplast.fdc,howflex cp,phthalic acid, dicyclohexyl ester,phthalic acid dicyclohexyl ester,1,2-benzenedicarboxylic acid, dicyclohexyl ester,unii-cgd15m7h2n,ccris 6190 PubChem CID: 6777 ChEBI: CHEBI:34693 IUPAC Name: dicyclohexyl benzene-1,2-dicarboxylate SMILES: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
| PubChem CID | 6777 |
|---|---|
| CAS | 84-61-7 |
| Molecular Weight (g/mol) | 330.424 |
| ChEBI | CHEBI:34693 |
| MDL Number | MFCD00003849 |
| SMILES | C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3 |
| Synonym | dicyclohexyl phthalate,ergoplast fdc,unimoll 66,ergoplast.fdc,howflex cp,phthalic acid, dicyclohexyl ester,phthalic acid dicyclohexyl ester,1,2-benzenedicarboxylic acid, dicyclohexyl ester,unii-cgd15m7h2n,ccris 6190 |
| IUPAC Name | dicyclohexyl benzene-1,2-dicarboxylate |
| InChI Key | VOWAEIGWURALJQ-UHFFFAOYSA-N |
| Molecular Formula | C20H26O4 |
5'-Chloro-3-hydroxy-2',4'-dimethoxy-2-naphthanilide 98.0+%, TCI America™
CAS: 92-72-8 Molecular Formula: C19H16ClNO4 Molecular Weight (g/mol): 357.79 MDL Number: MFCD00021635 InChI Key: XDWATWCCUTYUDE-UHFFFAOYSA-N Synonym: N-(5-Chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide, Naphthol AS-ITR, Azoic Coupling Component 12 PubChem CID: 66714 IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide SMILES: COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)Cl)OC
| PubChem CID | 66714 |
|---|---|
| CAS | 92-72-8 |
| Molecular Weight (g/mol) | 357.79 |
| MDL Number | MFCD00021635 |
| SMILES | COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)Cl)OC |
| Synonym | N-(5-Chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide, Naphthol AS-ITR, Azoic Coupling Component 12 |
| IUPAC Name | N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide |
| InChI Key | XDWATWCCUTYUDE-UHFFFAOYSA-N |
| Molecular Formula | C19H16ClNO4 |
Isobutyl Benzoate 99.0+%, TCI America™
CAS: 120-50-3 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00048344 InChI Key: KYZHGEFMXZOSJN-UHFFFAOYSA-N Synonym: isobutyl benzoate,benzoic acid, isobutyl ester,benzoic acid, 2-methylpropyl ester,unii-kq6xz9wjii,isobutyl benzoate natural,fema no. 2185,kq6xz9wjii,benzoic acid isobutyl ester,benzoic acid, isobutyl ester 6ci,7ci,8ci,iso-butyl benzoate PubChem CID: 61048 ChEBI: CHEBI:87500 IUPAC Name: 2-methylpropyl benzoate SMILES: CC(C)COC(=O)C1=CC=CC=C1
| PubChem CID | 61048 |
|---|---|
| CAS | 120-50-3 |
| Molecular Weight (g/mol) | 178.23 |
| ChEBI | CHEBI:87500 |
| MDL Number | MFCD00048344 |
| SMILES | CC(C)COC(=O)C1=CC=CC=C1 |
| Synonym | isobutyl benzoate,benzoic acid, isobutyl ester,benzoic acid, 2-methylpropyl ester,unii-kq6xz9wjii,isobutyl benzoate natural,fema no. 2185,kq6xz9wjii,benzoic acid isobutyl ester,benzoic acid, isobutyl ester 6ci,7ci,8ci,iso-butyl benzoate |
| IUPAC Name | 2-methylpropyl benzoate |
| InChI Key | KYZHGEFMXZOSJN-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
4-(trans-4-Propylcyclohexyl)benzoic Acid 98.0+%, TCI America™
CAS: 65355-29-5 Molecular Formula: C16H22O2 Molecular Weight (g/mol): 246.35 MDL Number: MFCD06658177 InChI Key: VACLULPMEXHBMD-UHFFFAOYSA-N Synonym: 4-trans-4-n-propylcyclohexyl benzoic acid,4-trans-4-propylcyclohexyl benzoic acid,4-4-propylcyclohexyl benzoic acid,trans-4-4-n-propylcyclohexyl benzoic acid,4-propyl cyclohexyl benzoic acid,benzoic acid, 4-4-propylcyclohexyl,4-trans-4-n-propylcyclohexyl benzoicacid,4-1s,4r-4-propylcyclohexyl benzoic acid,acmc-20lbd4 PubChem CID: 4552940 IUPAC Name: 4-(4-propylcyclohexyl)benzoic acid SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
| PubChem CID | 4552940 |
|---|---|
| CAS | 65355-29-5 |
| Molecular Weight (g/mol) | 246.35 |
| MDL Number | MFCD06658177 |
| SMILES | CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O |
| Synonym | 4-trans-4-n-propylcyclohexyl benzoic acid,4-trans-4-propylcyclohexyl benzoic acid,4-4-propylcyclohexyl benzoic acid,trans-4-4-n-propylcyclohexyl benzoic acid,4-propyl cyclohexyl benzoic acid,benzoic acid, 4-4-propylcyclohexyl,4-trans-4-n-propylcyclohexyl benzoicacid,4-1s,4r-4-propylcyclohexyl benzoic acid,acmc-20lbd4 |
| IUPAC Name | 4-(4-propylcyclohexyl)benzoic acid |
| InChI Key | VACLULPMEXHBMD-UHFFFAOYSA-N |
| Molecular Formula | C16H22O2 |
Sulfacetamide Sodium Salt Hydrate 98.0+%, TCI America™
CAS: 127-56-0 Molecular Formula: C8H9N2NaO3S Molecular Weight (g/mol): 236.22 MDL Number: MFCD00149555 InChI Key: PQMSFAORUFMASU-UHFFFAOYSA-M Synonym: N-Acetyl-4-aminobenzenesulfonamide Sodium Salt, N-Acetylsulfanilamide Sodium Salt PubChem CID: 4022878 ChEBI: CHEBI:9327 IUPAC Name: sodium acetyl(4-aminobenzenesulfonyl)azanide SMILES: [Na+].CC(=O)[N-]S(=O)(=O)C1=CC=C(N)C=C1
| PubChem CID | 4022878 |
|---|---|
| CAS | 127-56-0 |
| Molecular Weight (g/mol) | 236.22 |
| ChEBI | CHEBI:9327 |
| MDL Number | MFCD00149555 |
| SMILES | [Na+].CC(=O)[N-]S(=O)(=O)C1=CC=C(N)C=C1 |
| Synonym | N-Acetyl-4-aminobenzenesulfonamide Sodium Salt, N-Acetylsulfanilamide Sodium Salt |
| IUPAC Name | sodium acetyl(4-aminobenzenesulfonyl)azanide |
| InChI Key | PQMSFAORUFMASU-UHFFFAOYSA-M |
| Molecular Formula | C8H9N2NaO3S |
4-Iodobenzotrifluoride (stabilized with Copper chip) 97.0+%, TCI America™
CAS: 455-13-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I
| PubChem CID | 67993 |
|---|---|
| CAS | 455-13-0 |
| Molecular Weight (g/mol) | 272.009 |
| MDL Number | MFCD00039398 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)I |
| Synonym | 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene |
| IUPAC Name | 1-iodo-4-(trifluoromethyl)benzene |
| InChI Key | SKGRFPGOGCHDPC-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3I |
2,4,6-Triisopropylbenzenesulfonyl Azide (wetted with ca. 10% Water) (unit weight on dry weight basis) 98.0+%, TCI America™
CAS: 36982-84-0 Molecular Formula: C15H23N3O2S Molecular Weight (g/mol): 309.428 MDL Number: MFCD00859286 InChI Key: AEMWUHCKKDPRSK-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzenesulfonyl azide,2,4,6-triisopropylbenzene-sulfonyl azide,trisyl azide,2,4,6-triisopropylbenzene-sulfonyl azide,,benzenesulfonyl azide, 2,4,6-tris 1-methylethyl,2,4,6-triisopropyl-benzenesulfonyl azide,n-diazo-2,4,6-triisopropyl-benzenesulfonamide,2,4,6-tris 1-methylethyl-benzenesulfonyl azide,2,4,6-triisopropylbenzenesulfonyl azide, stab. with ca water,trisyl azide solution PubChem CID: 371707 IUPAC Name: N-diazo-2,4,6-tri(propan-2-yl)benzenesulfonamide SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N=[N+]=[N-])C(C)C
| PubChem CID | 371707 |
|---|---|
| CAS | 36982-84-0 |
| Molecular Weight (g/mol) | 309.428 |
| MDL Number | MFCD00859286 |
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N=[N+]=[N-])C(C)C |
| Synonym | 2,4,6-triisopropylbenzenesulfonyl azide,2,4,6-triisopropylbenzene-sulfonyl azide,trisyl azide,2,4,6-triisopropylbenzene-sulfonyl azide,,benzenesulfonyl azide, 2,4,6-tris 1-methylethyl,2,4,6-triisopropyl-benzenesulfonyl azide,n-diazo-2,4,6-triisopropyl-benzenesulfonamide,2,4,6-tris 1-methylethyl-benzenesulfonyl azide,2,4,6-triisopropylbenzenesulfonyl azide, stab. with ca water,trisyl azide solution |
| IUPAC Name | N-diazo-2,4,6-tri(propan-2-yl)benzenesulfonamide |
| InChI Key | AEMWUHCKKDPRSK-UHFFFAOYSA-N |
| Molecular Formula | C15H23N3O2S |